Compound Detail
CHEMBL2402789
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Basic Information
| ChEMBL ID | CHEMBL2402789 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DSXPRYCNASLQBZ-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
2
PK Parameters
6
Publications
0
Known Names
Molecular Properties
341.8
MW (Da)
4.10
ALogP
4
HBA
2
HBD
46.2
PSA (Ų)
0.64
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.49
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 8.49 | 8.04 | 3.2 | 3 |
| HepG2 CHEMBL395 | IC50 | 5.24 | 5.24 | 5816.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.1 | hr | Mus musculus |
| T1/2 | 0.45 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 3.22 | nM | 8.49 | Antimalarial activity against chloroquine-sensitive Plasmodium falciparum D6 aft... | 23815186 |
| Plasmodium falciparum | IC50 | = | 14.33 | nM | 7.84 | Antimalarial activity against chloroquine-resistant Plasmodium falciparum W2 aft... | 23815186 |
| Plasmodium falciparum | IC50 | = | 16.09 | nM | 7.79 | Antimalarial activity against multi drug resistant Plasmodium falciparum TM91C23... | 23815186 |
| HepG2 | IC50 | = | 5816.0 | nM | 5.24 | Cytotoxicity against human HepG2 cells after 48 hrs by MTT assay | 23815186 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23815186 | 10.1021/jm4006077 | Plasmodium falciparum | 4 |
| 23815186 | 10.1021/jm4006077 | Unchecked | 3 |
| 23815186 | 10.1021/jm4006077 | Liver | 1 |
| 23815186 | 10.1021/jm4006077 | Liver microsomes | 1 |
| 23815186 | 10.1021/jm4006077 | HepG2 | 1 |
| 23815186 | 10.1021/jm4006077 | Botulinum neurotoxin type A | 1 |
Data from ChEMBL 36 via Core Engine